chempirical

2-Bromo-5-fluoro-4-methylaniline

C7H7BrFNCAS 202865-78-9204.04 g/mol

Open in Covalent MOL file
FNH2Br
Aryl halidePrimary amine

Properties

Molecular formula
C7H7BrFN
Molar mass
204.04 g/mol
Exact mass
202.9746 Da
logP
2.48Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
202865-78-9
SMILES
CC1=CC(=C(C=C1F)N)Br
InChIKey
ZHSUEJWJGKIOGI-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrFN/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Bromo-5-fluoro-4-methylaniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-2,4-difluoro-5-methylbenzene159277-47-164 % similar 1-Bromo-2-chloro-4-fluoro-5-methylbenzene201849-18-556 % similar 4,5-Difluoro-2-methylaniline875664-57-655 % similar 4-Bromo-2,5-difluoroaniline112279-60-453 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-952 % similar 1-Bromo-2-chloro-5-fluoro-4-methylbenzene201849-17-452 % similar 2,5-Dibromo-1,4-phenylenediamine25462-61-750 % similar 1-Bromo-4,5-difluoro-2-methylbenzene875664-38-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-2-fluorobenzenemethanamine112734-22-2 2-Bromo-4-fluoro-6-methylbenzenamine202865-77-8 5-Bromo-4-fluoro-2-methylaniline627871-16-3 2-Bromo-5-fluorobenzenemethanamine747392-34-3

Elsewhere

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